R8J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OAA | CAN | doub | 1.22Å | 1.25Å | |
| OAB | CAR | doub | 1.22Å | 1.23Å | |
| CAN | OAC | sing | 1.35Å | 1.25Å | |
| OAC | HOAC | sing | 0.97Å | 0.95Å | |
| CAG | CAD | doub | 1.35Å | 1.32Å | Aromatic |
| CAD | NAJ | sing | 1.34Å | 1.33Å | Aromatic |
| CAD | HAD | sing | 1.08Å | 1.08Å | |
| CAE | CAO | doub | 1.40Å | 1.39Å | Aromatic |
| CAE | CAF | sing | 1.37Å | 1.39Å | Aromatic |
| CAE | HAE | sing | 1.08Å | 1.08Å | |
| CAF | CAP | doub | 1.39Å | 1.39Å | Aromatic |
| CAF | HAF | sing | 1.08Å | 1.08Å | |
| CAG | NAS | sing | 1.36Å | 1.33Å | Aromatic |
| CAG | HAG | sing | 1.08Å | 1.08Å | |
| CAO | CAH | sing | 1.40Å | 1.39Å | Aromatic |
| CAH | NAK | doub | 1.32Å | 1.40Å | Aromatic |
| CAH | HAH | sing | 1.08Å | 1.08Å | |
| NAM | CAI | sing | 1.37Å | 1.34Å | |
| CAQ | CAI | doub | 1.35Å | 1.32Å | |
| CAI | HAI | sing | 1.08Å | 1.08Å | |
| NAL | NAJ | doub | 1.29Å | 1.22Å | Aromatic |
| CAP | NAK | sing | 1.33Å | 1.34Å | Aromatic |
| NAS | NAL | sing | 1.29Å | 1.23Å | Aromatic |
| NAT | NAM | sing | 1.40Å | 1.27Å | |
| NAM | HNAM | sing | 0.97Å | 1.00Å | |
| CAN | CAO | sing | 1.47Å | 1.39Å | |
| CAP | NAT | sing | 1.39Å | 1.34Å | |
| CAR | CAQ | sing | 1.42Å | 1.32Å | |
| CAQ | NAS | sing | 1.41Å | 1.33Å | |
| NAT | CAR | sing | 1.35Å | 1.33Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OAA | CAN | OAC | 119.9° | 120.0° |
| OAA | CAN | CAO | 120.4° | 120.0° |
| OAB | CAR | CAQ | 124.5° | 126.2° |
| OAB | CAR | NAT | 127.2° | 126.2° |
| CAN | OAC | HOAC | 109.5° | 117.0° |
| OAC | CAN | CAO | 119.8° | 120.0° |
| CAG | CAD | NAJ | 105.7° | 106.5° |
| CAG | CAD | HAD | 127.2° | 126.7° |
| CAD | CAG | NAS | 105.2° | 106.0° |
| CAD | CAG | HAG | 127.4° | 127.0° |
| NAJ | CAD | HAD | 127.2° | 126.8° |
| CAD | NAJ | NAL | 108.9° | 109.1° |
| CAO | CAE | CAF | 119.9° | 118.5° |
| CAO | CAE | HAE | 120.1° | 120.7° |
| CAE | CAO | CAH | 119.0° | 119.0° |
| CAE | CAO | CAN | 121.0° | 120.5° |
| CAF | CAE | HAE | 120.0° | 120.8° |
| CAE | CAF | CAP | 120.4° | 119.4° |
| CAE | CAF | HAF | 119.8° | 120.3° |
| CAP | CAF | HAF | 119.8° | 120.3° |
| CAF | CAP | NAK | 119.7° | 121.0° |
| CAF | CAP | NAT | 121.4° | 119.5° |
| NAS | CAG | HAG | 127.4° | 127.0° |
| CAG | NAS | NAL | 108.9° | 108.1° |
| CAG | NAS | CAQ | 125.3° | 125.9° |
| CAO | CAH | NAK | 120.0° | 120.5° |
| CAO | CAH | HAH | 120.0° | 119.7° |
| CAH | CAO | CAN | 120.0° | 120.5° |
| NAK | CAH | HAH | 120.0° | 119.8° |
| CAH | NAK | CAP | 121.0° | 121.6° |
| NAM | CAI | CAQ | 106.6° | 108.4° |
| NAM | CAI | HAI | 126.7° | 125.8° |
| CAI | NAM | NAT | 110.1° | 108.3° |
| CAI | NAM | HNAM | 109.3° | 125.9° |
| CAQ | CAI | HAI | 126.7° | 125.8° |
| CAI | CAQ | CAR | 107.6° | 108.0° |
| CAI | CAQ | NAS | 126.4° | 126.0° |
| NAJ | NAL | NAS | 111.2° | 110.2° |
| NAK | CAP | NAT | 118.9° | 119.5° |
| NAL | NAS | CAQ | 125.7° | 125.9° |
| NAT | NAM | HNAM | 109.3° | 125.9° |
| NAM | NAT | CAP | 124.6° | 126.1° |
| NAM | NAT | CAR | 107.5° | 107.8° |
| CAP | NAT | CAR | 127.9° | 126.1° |
| CAR | CAQ | NAS | 126.0° | 126.0° |
| CAQ | CAR | NAT | 108.3° | 107.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OAA | CAN | OAC | CAO | 179.4° | 180.0° |
| OAA | CAN | OAC | HOAC | 0.0° | 0.0° |
| OAA | CAN | CAO | CAE | 7.9° | 0.1° |
| OAA | CAN | CAO | CAH | 172.0° | 180.0° |
| OAB | CAR | CAQ | CAI | 179.5° | 180.0° |
| OAB | CAR | NAT | NAM | 179.4° | 179.9° |
| OAB | CAR | NAT | CAP | 0.4° | 0.0° |
| OAB | CAR | CAQ | NAT | 179.8° | 179.9° |
| OAB | CAR | CAQ | NAS | 0.0° | 0.1° |
| OAC | CAN | CAO | CAE | 172.7° | 180.0° |
| OAC | CAN | CAO | CAH | 7.4° | 0.0° |
| HOAC | OAC | CAN | CAO | 179.4° | 180.0° |
| CAG | CAD | NAJ | HAD | 180.0° | 179.7° |
| CAD | CAG | NAS | HAG | 180.0° | 179.9° |
| CAG | CAD | NAJ | NAL | 0.0° | 0.2° |
| CAD | CAG | NAS | NAL | 0.1° | 0.2° |
| CAD | CAG | NAS | CAQ | 179.8° | 180.0° |
| NAJ | CAD | CAG | NAS | 0.0° | 0.0° |
| NAJ | CAD | CAG | HAG | 180.0° | 179.9° |
| CAD | NAJ | NAL | NAS | 0.1° | 0.4° |
| HAD | CAD | CAG | NAS | 180.0° | 179.7° |
| HAD | CAD | CAG | HAG | 0.0° | 0.3° |
| HAD | CAD | NAJ | NAL | 180.0° | 179.9° |
| CAO | CAE | CAF | HAE | 180.0° | 179.6° |
| CAO | CAE | CAF | CAP | 0.0° | 0.0° |
| CAO | CAE | CAF | HAF | 180.0° | 180.0° |
| CAE | CAO | CAH | CAN | 179.9° | 180.0° |
| CAE | CAO | CAH | NAK | 0.0° | 0.1° |
| CAE | CAO | CAH | HAH | 179.9° | 179.9° |
| CAE | CAF | CAP | HAF | 180.0° | 180.0° |
| CAF | CAE | CAO | CAH | 0.0° | 0.0° |
| CAE | CAF | CAP | NAK | 0.1° | 0.0° |
| CAF | CAE | CAO | CAN | 179.9° | 180.0° |
| CAE | CAF | CAP | NAT | 179.8° | 180.0° |
| HAE | CAE | CAF | CAP | 180.0° | 179.6° |
| HAE | CAE | CAF | HAF | 0.0° | 0.3° |
| HAE | CAE | CAO | CAH | 180.0° | 179.7° |
| HAE | CAE | CAO | CAN | 0.2° | 0.4° |
| CAF | CAP | NAK | CAH | 0.1° | 0.0° |
| CAF | CAP | NAK | NAT | 179.8° | 179.9° |
| CAF | CAP | NAT | NAM | 152.4° | 0.1° |
| CAF | CAP | NAT | CAR | 28.7° | 179.8° |
| HAF | CAF | CAP | NAK | 179.9° | 180.0° |
| HAF | CAF | CAP | NAT | 0.2° | 0.1° |
| CAG | NAS | CAQ | CAI | 123.4° | 0.0° |
| CAG | NAS | NAL | NAJ | 0.1° | 0.3° |
| CAG | NAS | NAL | CAQ | 179.9° | 179.8° |
| CAG | NAS | CAQ | CAR | 57.2° | 179.9° |
| HAG | CAG | NAS | NAL | 179.9° | 179.7° |
| HAG | CAG | NAS | CAQ | 0.2° | 0.1° |
| CAO | CAH | NAK | HAH | 180.0° | 180.0° |
| CAO | CAH | NAK | CAP | 0.0° | 0.0° |
| NAK | CAH | CAO | CAN | 179.8° | 180.0° |
| CAH | NAK | CAP | NAT | 179.8° | 179.9° |
| HAH | CAH | NAK | CAP | 180.0° | 180.0° |
| HAH | CAH | CAO | CAN | 0.2° | 0.0° |
| NAM | CAI | CAQ | HAI | 180.0° | 179.8° |
| CAI | NAM | NAT | HNAM | 120.1° | 179.9° |
| CAI | NAM | NAT | CAP | 179.4° | 180.0° |
| NAM | CAI | CAQ | CAR | 0.1° | 0.2° |
| NAM | CAI | CAQ | NAS | 179.6° | 179.7° |
| CAI | NAM | NAT | CAR | 0.3° | 0.1° |
| CAI | CAQ | NAS | NAL | 56.7° | 179.8° |
| CAQ | CAI | NAM | NAT | 0.2° | 0.2° |
| CAQ | CAI | NAM | HNAM | 119.9° | 179.7° |
| CAI | CAQ | CAR | NAS | 179.5° | 179.9° |
| CAI | CAQ | CAR | NAT | 0.3° | 0.1° |
| HAI | CAI | NAM | NAT | 179.8° | 180.0° |
| HAI | CAI | NAM | HNAM | 60.1° | 0.1° |
| HAI | CAI | CAQ | CAR | 180.0° | 180.0° |
| HAI | CAI | CAQ | NAS | 0.4° | 0.1° |
| NAJ | NAL | NAS | CAQ | 179.8° | 179.9° |
| NAK | CAP | NAT | NAM | 27.7° | 180.0° |
| NAK | CAP | NAT | CAR | 151.2° | 0.1° |
| NAL | NAS | CAQ | CAR | 122.7° | 0.3° |
| NAM | NAT | CAP | CAR | 178.9° | 179.9° |
| NAM | NAT | CAR | CAQ | 0.4° | 0.0° |
| HNAM | NAM | NAT | CAP | 59.3° | 0.1° |
| HNAM | NAM | NAT | CAR | 119.8° | 179.8° |
| CAP | NAT | CAR | CAQ | 179.4° | 179.9° |
| NAS | CAQ | CAR | NAT | 179.8° | 179.8° |
